Energetics and Vibrational States for Hydrogen on Pt(111)

Abstract

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.

In press at Phys. Rev. Lett - to appear in April 2002

References in corpus (1)

• Quantum Diffusion of H/Ni(111) through the Monte Carlo Wave Function Formalism

Cited by in corpus (5)

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